#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mks s ASN 5 N 0.00 5.51 0.09 -3.46 0.02 -1.26 -1.69 114.94 114.14 3mks s ASN 5 Ca 0.00 -0.53 0.02 0.00 -1.02 0.00 0.00 52.86 51.32 3mks s ASN 5 Cb 0.00 -0.41 -0.04 0.00 0.02 0.00 0.00 41.25 40.82 3mks s ASN 5 CO 0.00 -0.91 -0.07 -0.69 0.02 0.00 0.00 177.10 175.45 3mks s VAL 6 N -2.43 0.66 -0.08 1.60 1.01 0.87 -4.59 120.40 117.43 3mks s VAL 6 Ca 0.57 -1.80 0.02 0.00 0.00 0.00 0.00 61.98 60.77 3mks s VAL 6 Cb -0.09 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 3mks s VAL 6 CO 0.35 -0.80 -0.12 -0.69 0.00 0.00 0.00 175.10 173.84 3mks s VAL 7 N -3.28 3.27 -0.19 2.92 1.01 -0.99 -1.14 120.40 122.00 3mks s VAL 7 Ca 0.08 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 3mks s VAL 7 Cb 0.03 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 34.09 3mks s VAL 7 CO -0.04 0.57 -0.15 -0.76 0.00 0.00 0.00 175.10 174.72 3mks s LEU 8 N -0.42 2.37 -0.21 3.92 1.43 -0.06 -1.38 118.68 124.32 3mks s LEU 8 Ca 0.05 -0.56 -0.15 0.00 -1.03 0.00 0.00 54.13 52.45 3mks s LEU 8 Cb -0.12 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 3mks s LEU 8 CO 0.02 0.01 0.36 -0.69 0.23 0.00 0.00 176.35 176.28 3mks s VAL 9 N 1.25 5.22 1.03 -1.59 1.01 -0.37 -2.09 120.40 124.86 3mks s VAL 9 Ca 0.03 0.61 -0.17 0.00 0.00 0.00 0.00 61.98 62.46 3mks s VAL 9 Cb -0.14 -3.69 0.22 0.00 0.00 0.00 0.00 36.38 32.77 3mks s VAL 9 CO -0.08 0.26 1.27 -0.94 0.00 0.00 0.00 175.10 175.60 3mks s SER 10 N 1.09 2.54 0.47 3.32 1.04 -1.02 0.24 113.70 121.38 3mks s SER 10 Ca 0.17 0.36 0.26 0.00 0.48 0.00 0.00 55.95 57.23 3mks s SER 10 Cb -0.15 -0.46 0.88 0.00 0.10 0.00 0.00 66.02 66.40 3mks s SER 10 CO 0.08 -3.10 1.80 1.23 0.98 0.00 0.00 173.24 174.23 3mks h GLY 11 N -1.89 0.00 -0.73 7.32 0.00 -1.04 -3.03 103.07 103.69 3mks h GLY 11 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3mks h GLY 11 CO 0.37 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.09 3mks n GLU 12 N -3.21 1.71 -0.48 4.80 1.02 -1.26 -4.85 120.64 118.37 3mks n GLU 12 Ca 0.01 -1.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.09 3mks n GLU 12 Cb 0.43 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 3mks n GLU 12 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mks n GLY 13 N 1.14 0.75 3.83 0.62 0.00 -1.15 -5.00 105.19 105.38 3mks n GLY 13 Ca 0.17 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3mks n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mks s GLU 14 N -0.56 4.07 -0.11 1.61 0.41 -1.26 -4.89 118.70 117.97 3mks s GLU 14 Ca 0.00 0.60 -0.15 0.00 -0.41 0.00 0.00 54.97 55.00 3mks s GLU 14 Cb 0.00 -3.08 -0.05 0.00 -1.78 0.00 0.00 34.13 29.22 3mks s GLU 14 CO 0.00 0.56 0.37 1.03 -0.49 0.00 0.00 175.26 176.73 3mks s ARG 15 N -1.53 4.17 -0.18 1.61 0.52 -1.26 -2.42 118.95 119.85 3mks s ARG 15 Ca 0.33 0.26 0.00 0.00 -0.52 0.00 0.00 55.73 55.81 3mks s ARG 15 Cb -0.17 -3.37 0.01 0.00 0.52 0.00 0.00 34.95 31.94 3mks s ARG 15 CO 0.19 0.34 -0.17 -0.06 0.02 0.00 0.00 175.30 175.62 3mks s PHE 16 N 0.10 2.80 -0.21 -0.53 0.40 -0.89 -4.97 117.98 114.68 3mks s PHE 16 Ca 0.21 -1.42 -0.12 0.00 -0.60 0.00 0.00 56.93 54.99 3mks s PHE 16 Cb -0.14 -1.93 -0.05 0.00 0.51 0.00 0.00 43.02 41.40 3mks s PHE 16 CO 0.08 -0.70 0.25 0.99 0.70 0.00 0.00 175.22 176.53 3mks s THR 17 N 1.21 5.31 0.12 0.64 2.01 -1.26 -0.89 115.64 122.78 3mks s THR 17 Ca 0.02 0.39 -0.07 0.00 0.31 0.00 0.00 61.69 62.35 3mks s THR 17 Cb -0.14 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 3mks s THR 17 CO -0.09 0.34 0.18 0.54 -0.69 0.00 0.00 174.62 174.90 3mks s VAL 18 N 0.96 0.12 0.30 3.82 0.11 -0.29 -4.98 120.40 120.43 3mks s VAL 18 Ca 0.12 -1.44 -0.30 0.00 -2.93 0.00 0.00 61.98 57.44 3mks s VAL 18 Cb -0.13 -1.65 -0.11 0.00 -1.53 0.00 0.00 36.38 32.95 3mks s VAL 18 CO 0.05 -0.53 1.61 -0.62 -3.33 0.00 0.00 175.10 172.27 3mks s ASP 19 N -2.94 6.34 0.19 3.54 -1.08 -1.26 -0.09 116.67 121.37 3mks s ASP 19 Ca 0.13 2.99 -0.16 0.00 -0.52 0.00 0.00 52.55 54.98 3mks s ASP 19 Cb 0.05 -2.64 0.16 0.00 -1.46 0.00 0.00 42.92 39.03 3mks s ASP 19 CO -0.05 -0.94 1.64 0.50 0.52 0.00 0.00 175.17 176.84 3mks h LYS 20 N 4.74 -0.04 -0.53 4.34 3.64 -1.58 -1.41 116.57 125.73 3mks h LYS 20 Ca -0.47 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.83 3mks h LYS 20 Cb 1.22 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 3mks h LYS 20 CO 0.79 -0.02 0.02 0.87 -2.27 0.00 0.00 179.45 178.83 3mks h LYS 21 N -0.04 0.89 -0.50 1.90 1.57 -1.92 -0.45 116.57 118.03 3mks h LYS 21 Ca 0.25 -0.25 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 3mks h LYS 21 Cb 0.41 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3mks h LYS 21 CO -0.55 0.88 -0.05 0.82 -0.57 0.00 0.00 179.45 179.98 3mks h ILE 22 N 0.83 1.26 0.00 1.86 2.04 -1.85 -2.44 117.51 119.21 3mks h ILE 22 Ca 0.16 -1.13 -0.06 0.00 1.00 0.00 0.00 64.86 64.83 3mks h ILE 22 Cb 0.47 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3mks h ILE 22 CO 0.02 0.40 -0.28 0.00 0.00 0.00 0.00 178.15 178.29 3mks h ALA 23 N 1.13 1.00 0.00 1.87 0.00 -0.90 -2.46 119.26 119.90 3mks h ALA 23 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3mks h ALA 23 Cb 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3mks h ALA 23 CO 0.03 0.35 0.00 0.39 0.00 0.00 0.00 179.25 180.02 3mks n GLU 24 N -3.43 0.13 -0.18 0.00 1.02 -0.21 -0.30 120.64 117.67 3mks n GLU 24 Ca 0.00 0.41 0.27 0.00 -0.02 0.00 0.00 57.16 57.81 3mks n GLU 24 Cb 0.47 -1.77 0.69 0.00 -0.02 0.00 0.00 31.44 30.81 3mks n GLU 24 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3mks h ARG 25 N 0.00 0.06 -5.97 3.49 9.65 -1.39 -3.37 114.38 116.85 3mks h ARG 25 Ca 0.00 -0.00 -0.57 0.00 -1.10 0.00 0.00 59.98 58.30 3mks h ARG 25 Cb 0.28 -0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 28.78 3mks h ARG 25 CO 0.00 0.04 0.35 0.45 2.80 0.00 0.00 179.97 183.61 3mks s SER 26 N -5.66 6.97 0.11 -3.80 0.15 0.59 -4.65 113.70 107.41 3mks s SER 26 Ca -0.06 1.19 -0.11 0.00 0.70 0.00 0.00 55.95 57.68 3mks s SER 26 Cb 0.22 -2.45 -0.15 0.00 -1.71 0.00 0.00 66.02 61.93 3mks s SER 26 CO 0.77 -0.36 1.29 -0.07 1.20 0.00 0.00 173.24 176.08 3mks h LEU 27 N 8.08 0.88 -0.56 3.45 3.38 -1.54 0.17 115.31 129.17 3mks h LEU 27 Ca -0.31 -0.61 0.11 0.00 0.09 0.00 0.00 57.88 57.16 3mks h LEU 27 Cb 1.14 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.54 3mks h LEU 27 CO 0.82 1.40 0.03 0.25 0.09 0.00 0.00 178.44 181.04 3mks h LEU 28 N 0.47 -0.17 0.62 1.67 5.85 -1.83 0.13 115.31 122.05 3mks h LEU 28 Ca -0.07 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3mks h LEU 28 Cb 1.47 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.71 3mks h LEU 28 CO 0.17 -0.06 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.74 3mks h LEU 29 N 0.15 -1.01 -0.37 2.25 -0.00 -1.73 -3.26 115.31 111.35 3mks h LEU 29 Ca 0.29 0.06 0.05 0.00 -0.00 0.00 0.00 57.88 58.27 3mks h LEU 29 Cb 0.44 0.30 -0.08 0.00 -0.00 0.00 0.00 40.66 41.32 3mks h LEU 29 CO -0.44 -0.61 -0.55 0.50 -0.00 0.00 0.00 178.44 177.34 3mks h LYS 30 N -0.97 -0.40 -6.29 1.13 1.63 -0.29 -3.45 116.57 107.94 3mks h LYS 30 Ca -0.08 0.03 -0.65 0.00 -0.85 0.00 0.00 60.65 59.10 3mks h LYS 30 Cb 0.79 0.09 0.09 0.00 -0.60 0.00 0.00 32.23 32.60 3mks h LYS 30 CO 0.07 -0.27 0.09 0.09 -3.45 0.00 0.00 179.45 175.98 3mks n ASN 31 N -5.33 0.83 0.00 4.20 5.03 0.40 -5.08 115.26 115.30 3mks n ASN 31 Ca -0.04 1.15 0.00 0.00 0.87 0.00 0.00 54.58 56.56 3mks n ASN 31 Cb 0.34 -1.17 0.00 0.00 -1.02 0.00 0.00 39.78 37.93 3mks n ASN 31 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3mks n TYR 32 N 0.94 0.00 -0.26 3.10 4.02 -1.26 -5.01 117.16 118.69 3mks n TYR 32 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 3mks n TYR 32 Cb 0.25 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.57 3mks n TYR 32 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3mks n GLU 74 N 0.00 -0.06 -1.12 -0.72 1.02 -1.26 -5.31 120.64 113.18 3mks n GLU 74 Ca 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3mks n GLU 74 Cb 0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 31.44 31.11 3mks n GLU 74 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3mks n ILE 75 N -1.26 -3.53 -3.59 -3.67 5.41 -1.26 -4.62 119.36 106.84 3mks n ILE 75 Ca -0.00 0.43 -0.29 0.00 1.00 0.00 0.00 62.75 63.88 3mks n ILE 75 Cb 0.50 -3.29 -0.13 0.00 -0.71 0.00 0.00 39.64 36.01 3mks n ILE 75 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3mks s VAL 76 N -0.08 0.64 -0.12 1.39 1.01 -1.26 -2.35 120.40 119.63 3mks s VAL 76 Ca 0.00 -1.87 -0.20 0.00 0.00 0.00 0.00 61.98 59.91 3mks s VAL 76 Cb 0.00 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 3mks s VAL 76 CO 0.00 -0.89 0.57 -0.04 0.00 0.00 0.00 175.10 174.74 3mks s MET 77 N 0.99 4.35 0.36 2.72 -1.94 -0.48 -4.89 119.30 120.40 3mks s MET 77 Ca 0.16 0.61 -0.27 0.00 -1.71 0.00 0.00 55.69 54.48 3mks s MET 77 Cb -0.22 -3.47 -0.09 0.00 2.01 0.00 0.00 34.83 33.06 3mks s MET 77 CO -0.06 0.05 1.18 -2.14 -0.01 0.00 0.00 175.02 174.04 3mks s PRO 78 N 0.92 4.25 -0.71 2.03 0.02 -1.26 -1.24 135.00 139.01 3mks s PRO 78 Ca 0.30 1.89 0.05 0.00 0.02 0.00 0.00 61.00 63.26 3mks s PRO 78 Cb -0.16 -2.86 0.21 0.00 0.02 0.00 0.00 34.50 31.70 3mks s PRO 78 CO 0.13 -0.17 0.65 0.28 -0.33 0.00 0.00 177.00 177.56 3mks n VAL 79 N 0.46 2.16 -1.63 3.83 0.31 0.66 -4.81 118.33 119.31 3mks n VAL 79 Ca 0.02 -5.06 -0.48 0.00 -0.01 0.00 0.00 64.34 58.81 3mks n VAL 79 Cb 0.45 -2.17 -0.04 0.00 -0.91 0.00 0.00 33.84 31.17 3mks n VAL 79 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3mks n PRO 80 N 1.54 1.66 -3.30 5.55 -0.02 -1.26 -2.41 135.00 136.76 3mks n PRO 80 Ca 0.24 0.60 -0.17 0.00 -2.02 0.00 0.00 63.50 62.14 3mks n PRO 80 Cb 0.37 -2.27 0.06 0.00 -0.02 0.00 0.00 33.50 31.65 3mks n PRO 80 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3mks n ASN 81 N 2.71 -5.04 -3.46 2.55 3.02 -1.26 -4.87 115.26 108.91 3mks n ASN 81 Ca 0.16 -0.41 -0.22 0.00 -0.03 0.00 0.00 54.58 54.09 3mks n ASN 81 Cb 0.25 -3.88 -0.12 0.00 -0.61 0.00 0.00 39.78 35.42 3mks n ASN 81 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mks s VAL 82 N -3.24 -0.26 -0.05 2.41 1.01 -1.25 -4.98 120.40 114.03 3mks s VAL 82 Ca 0.41 -0.57 -0.39 0.00 0.00 0.00 0.00 61.98 61.43 3mks s VAL 82 Cb -0.18 -0.96 -0.18 0.00 0.00 0.00 0.00 36.38 35.06 3mks s VAL 82 CO 0.54 -0.55 1.35 0.54 0.00 0.00 0.00 175.10 176.98 3mks n ARG 83 N 5.29 0.70 -0.38 2.72 1.74 -1.26 -2.01 116.66 123.45 3mks n ARG 83 Ca -0.04 0.25 0.29 0.00 -0.77 0.00 0.00 57.85 57.59 3mks n ARG 83 Cb 0.45 -1.85 0.57 0.00 -1.02 0.00 0.00 32.46 30.61 3mks n ARG 83 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3mks h SER 84 N 4.54 0.37 0.77 0.55 0.02 -1.94 1.25 113.55 119.12 3mks h SER 84 Ca -0.48 0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.56 3mks h SER 84 Cb 1.36 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.99 3mks h SER 84 CO 0.79 -0.08 -0.16 0.77 -1.14 0.00 0.00 176.83 177.01 3mks h SER 85 N 0.24 0.00 0.04 3.07 4.64 -2.00 -1.88 113.55 117.66 3mks h SER 85 Ca 0.72 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 62.04 3mks h SER 85 Cb 2.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.10 3mks h SER 85 CO -0.41 0.16 -0.02 0.58 -0.87 0.00 0.00 176.83 176.27 3mks h VAL 86 N 0.00 1.27 -0.17 0.95 2.07 0.12 -3.22 116.25 117.28 3mks h VAL 86 Ca -0.00 -1.65 -0.00 0.00 0.82 0.00 0.00 66.70 65.87 3mks h VAL 86 Cb 0.59 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 3mks h VAL 86 CO 0.02 0.38 0.10 0.25 0.02 0.00 0.00 177.57 178.35 3mks h LEU 87 N -0.87 0.20 0.03 2.57 5.85 -1.29 -0.94 115.31 120.86 3mks h LEU 87 Ca -0.01 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3mks h LEU 87 Cb 0.67 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3mks h LEU 87 CO 0.01 0.15 -0.10 -0.61 -0.34 0.00 0.00 178.44 177.56 3mks h GLN 88 N 0.23 -0.18 -0.15 1.25 4.15 -1.44 -1.04 115.11 117.93 3mks h GLN 88 Ca 0.06 0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.41 3mks h GLN 88 Cb -0.01 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 3mks h GLN 88 CO -0.01 -0.12 -0.31 -0.22 -1.93 0.00 0.00 178.83 176.24 3mks h LYS 89 N -0.19 0.28 -0.20 1.69 3.64 -1.33 0.22 116.57 120.68 3mks h LYS 89 Ca 0.03 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 3mks h LYS 89 Cb 0.22 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3mks h LYS 89 CO -0.08 0.57 0.07 0.28 -2.27 0.00 0.00 179.45 178.02 3mks h VAL 90 N 0.25 1.18 -0.64 2.00 2.07 -0.69 -0.95 116.25 119.47 3mks h VAL 90 Ca 0.03 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3mks h VAL 90 Cb 0.67 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 3mks h VAL 90 CO 0.05 0.18 0.35 0.40 0.02 0.00 0.00 177.57 178.57 3mks h ILE 91 N 0.16 1.21 0.24 4.57 2.04 -0.36 0.30 117.51 125.66 3mks h ILE 91 Ca 0.07 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.41 3mks h ILE 91 Cb 0.22 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3mks h ILE 91 CO -0.00 0.23 -0.28 -0.08 0.00 0.00 0.00 178.15 178.02 3mks h GLU 92 N 0.88 -0.54 -0.68 2.37 4.81 -0.44 0.11 114.58 121.08 3mks h GLU 92 Ca 0.23 0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.64 3mks h GLU 92 Cb 0.05 0.12 -0.12 0.00 0.63 0.00 0.00 28.75 29.43 3mks h GLU 92 CO -0.04 -0.36 -0.02 2.35 -0.73 0.00 0.00 179.01 180.21 3mks h TRP 93 N -0.56 -0.09 -0.70 0.92 7.01 -0.54 -1.43 115.95 120.55 3mks h TRP 93 Ca -0.00 0.05 -0.06 0.00 2.11 0.00 0.00 58.89 60.99 3mks h TRP 93 Cb 0.53 0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.71 3mks h TRP 93 CO -0.19 -0.21 0.19 0.00 -2.79 0.00 0.00 178.44 175.44 3mks h ALA 94 N 1.64 1.02 -0.20 2.65 0.00 0.38 -1.74 119.26 123.01 3mks h ALA 94 Ca 0.36 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3mks h ALA 94 Cb 0.60 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3mks h ALA 94 CO -0.61 0.65 -0.21 0.93 0.00 0.00 0.00 179.25 180.01 3mks h GLU 95 N 1.05 0.49 -1.00 0.00 5.08 -0.30 -1.49 114.58 118.40 3mks h GLU 95 Ca 0.22 -0.26 0.22 0.00 -1.00 0.00 0.00 59.36 58.55 3mks h GLU 95 Cb 0.33 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.49 3mks h GLU 95 CO -0.00 0.84 0.62 1.25 -1.00 0.00 0.00 179.01 180.72 3mks h HIS 96 N 0.15 0.91 -0.67 4.33 2.76 -1.11 -2.36 115.15 119.15 3mks h HIS 96 Ca 0.03 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3mks h HIS 96 Cb 0.76 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.45 3mks h HIS 96 CO 0.08 0.15 0.00 0.72 -1.30 0.00 0.00 177.93 177.58 3mks n HIS 97 N -4.73 0.89 -0.30 5.26 8.25 -0.67 -4.64 115.22 119.28 3mks n HIS 97 Ca 0.24 -0.45 0.10 0.00 -0.26 0.00 0.00 57.72 57.36 3mks n HIS 97 Cb 0.70 -0.00 0.21 0.00 1.12 0.00 0.00 29.99 32.02 3mks n HIS 97 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 3mks n ARG 98 N 1.64 -0.07 -2.45 -0.41 1.85 -0.59 -0.86 116.66 115.77 3mks n ARG 98 Ca 0.24 1.31 -0.33 0.00 -1.00 0.00 0.00 57.85 58.06 3mks n ARG 98 Cb 0.62 -2.04 0.01 0.00 -1.05 0.00 0.00 32.46 30.00 3mks n ARG 98 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3mks n ASP 99 N -5.30 5.97 -4.34 2.89 8.00 -1.26 -4.96 116.55 117.54 3mks n ASP 99 Ca 0.18 -3.74 -0.32 0.00 0.71 0.00 0.00 54.79 51.62 3mks n ASP 99 Cb 0.59 -0.79 -0.15 0.00 -0.02 0.00 0.00 41.12 40.75 3mks n ASP 99 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3mks s SER 100 N -2.42 3.45 0.18 -2.24 0.01 -0.04 -5.12 113.70 107.52 3mks s SER 100 Ca 0.48 -0.40 0.06 0.00 1.31 0.00 0.00 55.95 57.40 3mks s SER 100 Cb 0.35 -0.93 -0.04 0.00 0.21 0.00 0.00 66.02 65.61 3mks s SER 100 CO -0.23 0.26 0.08 0.20 0.41 0.00 0.00 173.24 173.95 3mks s ASN 101 N -0.25 5.16 0.13 2.44 -0.87 -1.26 -5.09 114.94 115.21 3mks s ASN 101 Ca -0.00 -0.27 0.04 0.00 -1.57 0.00 0.00 52.86 51.06 3mks s ASN 101 Cb -0.13 -1.24 -0.04 0.00 -0.02 0.00 0.00 41.25 39.82 3mks s ASN 101 CO 0.03 0.07 -0.10 -0.36 -2.57 0.00 0.00 177.10 174.16 3mks s PHE 102 N -1.78 1.22 0.00 2.20 0.40 -1.26 -5.16 117.98 113.59 3mks s PHE 102 Ca 0.30 -0.72 0.00 0.00 -0.60 0.00 0.00 56.93 55.91 3mks s PHE 102 Cb -0.09 -0.63 0.00 0.00 0.51 0.00 0.00 43.02 42.80 3mks s PHE 102 CO 0.21 0.06 0.00 -0.35 0.70 0.00 0.00 175.22 175.84 3mks n PRO 103 N 0.07 2.13 0.00 0.24 -0.04 -1.26 -5.18 135.00 130.96 3mks n PRO 103 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 3mks n PRO 103 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 3mks n PRO 103 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3mks n ASP 104 N 0.00 0.44 -0.97 3.54 9.92 -1.26 -5.11 116.55 123.10 3mks n ASP 104 Ca 0.00 -0.84 -0.09 0.00 -0.53 0.00 0.00 54.79 53.33 3mks n ASP 104 Cb 0.00 0.12 0.01 0.00 -0.64 0.00 0.00 41.12 40.61 3mks n ASP 104 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3mks n LYS 112 N -0.12 0.00 -4.20 -1.24 4.76 -1.26 -5.22 118.16 110.88 3mks n LYS 112 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 3mks n LYS 112 Cb 0.09 -0.24 -0.09 0.00 -1.84 0.00 0.00 35.03 32.94 3mks n LYS 112 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3mks s SER 113 N -0.24 0.45 -0.38 4.39 0.15 -1.26 -5.09 113.70 111.71 3mks s SER 113 Ca 0.09 -1.43 -0.30 0.00 0.70 0.00 0.00 55.95 55.01 3mks s SER 113 Cb -0.00 0.44 -0.09 0.00 -1.71 0.00 0.00 66.02 64.66 3mks s SER 113 CO 0.18 -0.92 2.29 0.00 1.20 0.00 0.00 173.24 175.99 3mks n ALA 114 N -0.35 1.22 -0.82 5.45 0.00 -1.26 -4.94 120.51 119.80 3mks n ALA 114 Ca 0.03 -0.35 -0.31 0.00 0.00 0.00 0.00 53.44 52.80 3mks n ALA 114 Cb 0.65 -2.82 0.15 0.00 0.00 0.00 0.00 19.45 17.43 3mks n ALA 114 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3mks s PRO 115 N 6.95 1.26 0.23 0.00 0.02 -1.26 -4.87 135.00 137.33 3mks s PRO 115 Ca 1.06 1.45 -0.31 0.00 0.02 0.00 0.00 61.00 63.22 3mks s PRO 115 Cb -0.54 -1.76 -0.10 0.00 0.02 0.00 0.00 34.50 32.12 3mks s PRO 115 CO 0.39 -2.43 1.51 0.54 -0.33 0.00 0.00 177.00 176.68 3mks s VAL 116 N -2.71 2.54 0.22 3.83 0.11 -1.26 -4.93 120.40 118.20 3mks s VAL 116 Ca 0.65 0.43 -0.31 0.00 -2.93 0.00 0.00 61.98 59.82 3mks s VAL 116 Cb -0.21 -3.27 -0.15 0.00 -1.53 0.00 0.00 36.38 31.22 3mks s VAL 116 CO 0.58 0.06 1.20 -0.67 -3.33 0.00 0.00 175.10 172.93 3mks n ASP 117 N 2.89 1.73 -0.33 3.54 2.03 -1.26 -4.81 116.55 120.34 3mks n ASP 117 Ca 0.10 1.15 0.15 0.00 0.52 0.00 0.00 54.79 56.70 3mks n ASP 117 Cb 0.39 -1.29 0.34 0.00 -0.72 0.00 0.00 41.12 39.84 3mks n ASP 117 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 3mks h SER 118 N 3.28 0.60 0.05 1.67 0.87 -2.00 -0.62 113.55 117.39 3mks h SER 118 Ca -0.43 0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.26 3mks h SER 118 Cb 1.32 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 3mks h SER 118 CO 0.69 0.12 -0.02 -0.25 -0.53 0.00 0.00 176.83 176.84 3mks h TRP 119 N 0.57 -0.06 -0.31 2.24 7.01 -2.01 -3.18 115.95 120.20 3mks h TRP 119 Ca 0.60 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.69 3mks h TRP 119 Cb 1.08 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 28.15 3mks h TRP 119 CO -0.04 0.29 0.31 -0.44 -2.79 0.00 0.00 178.44 175.77 3mks h ASP 120 N -0.42 0.00 -0.24 2.65 3.32 -1.56 -1.08 116.42 119.09 3mks h ASP 120 Ca -0.01 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 3mks h ASP 120 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3mks h ASP 120 CO 0.01 0.00 -0.46 -0.09 -1.72 0.00 0.00 179.24 176.98 3mks h ARG 121 N 0.00 0.75 -0.06 3.56 2.43 -1.15 -1.76 114.38 118.15 3mks h ARG 121 Ca 0.15 -0.48 -0.02 0.00 -0.81 0.00 0.00 59.98 58.82 3mks h ARG 121 Cb 0.77 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 3mks h ARG 121 CO -0.00 1.10 -0.05 1.49 -1.51 0.00 0.00 179.97 181.00 3mks h GLU 122 N 0.48 0.13 -0.21 0.20 4.57 -1.29 -2.16 114.58 116.30 3mks h GLU 122 Ca 0.01 -0.07 0.06 0.00 -1.18 0.00 0.00 59.36 58.19 3mks h GLU 122 Cb 1.07 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 3mks h GLU 122 CO 0.10 0.56 0.18 0.35 -1.18 0.00 0.00 179.01 179.02 3mks h PHE 123 N -0.29 0.00 -0.33 0.92 3.57 -1.35 0.82 116.94 120.29 3mks h PHE 123 Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3mks h PHE 123 Cb 0.53 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.27 3mks h PHE 123 CO 0.08 0.00 0.00 1.28 -2.23 0.00 0.00 178.31 177.44 3mks n LEU 124 N -4.16 3.07 -4.54 0.59 4.77 -0.66 -4.70 117.00 111.37 3mks n LEU 124 Ca 0.02 -1.31 -0.43 0.00 -0.03 0.00 0.00 56.01 54.26 3mks n LEU 124 Cb 0.32 -0.21 -0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3mks n LEU 124 CO 0.32 0.65 1.74 -0.75 -1.33 0.00 0.00 177.39 178.03 3mks s LYS 125 N -1.58 3.99 0.32 3.23 2.20 0.28 -4.88 119.74 123.30 3mks s LYS 125 Ca 0.37 -2.12 0.04 0.00 -0.36 0.00 0.00 55.97 53.90 3mks s LYS 125 Cb 0.22 -5.37 -0.01 0.00 -1.51 0.00 0.00 37.83 31.15 3mks s LYS 125 CO 0.30 -2.09 0.13 1.33 -0.36 0.00 0.00 175.35 174.66 3mks n VAL 126 N 5.86 0.00 -2.33 4.02 0.24 -1.26 -5.02 118.33 119.85 3mks n VAL 126 Ca 0.44 -1.89 -0.31 0.00 -2.04 0.00 0.00 64.34 60.53 3mks n VAL 126 Cb 0.45 0.71 -0.02 0.00 -1.47 0.00 0.00 33.84 33.51 3mks n VAL 126 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 3mks s ASP 127 N -2.97 6.48 0.40 -1.34 -4.77 -1.26 -4.83 116.67 108.37 3mks s ASP 127 Ca 0.18 1.43 0.07 0.00 -3.30 0.00 0.00 52.55 50.93 3mks s ASP 127 Cb 0.01 -2.46 0.83 0.00 -1.09 0.00 0.00 42.92 40.21 3mks s ASP 127 CO 0.13 -0.64 2.05 1.56 0.70 0.00 0.00 175.17 178.97 3mks h GLN 128 N 0.58 0.57 -0.54 2.11 4.20 -1.98 -0.33 115.11 119.72 3mks h GLN 128 Ca -0.46 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.14 3mks h GLN 128 Cb 1.19 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 3mks h GLN 128 CO 0.62 0.38 0.05 1.49 -0.67 0.00 0.00 178.83 180.71 3mks h GLU 129 N 0.58 0.87 0.01 1.46 4.22 -1.98 0.48 114.58 120.23 3mks h GLU 129 Ca 0.16 -0.22 -0.00 0.00 0.08 0.00 0.00 59.36 59.37 3mks h GLU 129 Cb -0.05 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.09 3mks h GLU 129 CO -0.03 0.84 -0.00 1.98 -2.18 0.00 0.00 179.01 179.61 3mks h MET 130 N 0.82 -0.01 -0.91 1.92 4.05 -1.65 -0.75 114.93 118.40 3mks h MET 130 Ca 0.17 0.00 0.22 0.00 -0.28 0.00 0.00 59.70 59.80 3mks h MET 130 Cb 0.41 0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 31.10 3mks h MET 130 CO 0.01 0.29 0.44 1.25 0.23 0.00 0.00 176.91 179.14 3mks h LEU 131 N -0.31 0.43 -0.09 3.39 5.85 -0.70 -0.43 115.31 123.45 3mks h LEU 131 Ca -0.00 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 3mks h LEU 131 Cb 0.30 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 3mks h LEU 131 CO 0.00 0.05 -0.08 0.22 -0.34 0.00 0.00 178.44 178.29 3mks h TYR 132 N 0.47 0.25 -0.09 1.25 3.20 0.24 -2.58 116.97 119.71 3mks h TYR 132 Ca 0.57 -0.07 -0.13 0.00 3.14 0.00 0.00 58.73 62.23 3mks h TYR 132 Cb 1.04 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 3mks h TYR 132 CO -0.10 0.63 -0.50 0.93 -1.64 0.00 0.00 178.16 177.48 3mks h GLU 133 N -0.20 0.24 -0.30 1.82 5.08 -0.30 -1.39 114.58 119.53 3mks h GLU 133 Ca 0.01 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3mks h GLU 133 Cb 0.59 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3mks h GLU 133 CO 0.02 0.70 0.16 0.82 -1.00 0.00 0.00 179.01 179.70 3mks h ILE 134 N 0.19 1.14 -0.04 3.13 2.04 -1.13 0.29 117.51 123.13 3mks h ILE 134 Ca 0.01 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.49 3mks h ILE 134 Cb 0.96 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 3mks h ILE 134 CO 0.08 0.14 -0.02 0.40 0.00 0.00 0.00 178.15 178.75 3mks h ILE 135 N 0.36 0.93 -0.89 -0.67 2.04 -1.20 0.13 117.51 118.21 3mks h ILE 135 Ca 0.10 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.19 3mks h ILE 135 Cb 0.09 0.93 -0.16 0.00 -0.74 0.00 0.00 36.82 36.94 3mks h ILE 135 CO -0.02 0.00 0.04 -0.07 0.00 0.00 0.00 178.15 178.10 3mks h LEU 136 N -0.02 -0.39 -0.19 1.44 3.38 -1.19 0.94 115.31 119.28 3mks h LEU 136 Ca 0.02 0.24 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 3mks h LEU 136 Cb 0.06 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3mks h LEU 136 CO -0.05 -0.26 -0.34 0.00 0.09 0.00 0.00 178.44 177.87 3mks h ALA 137 N 1.86 0.30 -0.03 1.53 0.00 0.65 0.31 119.26 123.88 3mks h ALA 137 Ca 0.52 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3mks h ALA 137 Cb 1.01 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3mks h ALA 137 CO -0.80 0.36 -0.42 0.00 0.00 0.00 0.00 179.25 178.39 3mks h ALA 138 N 0.60 1.24 0.24 0.00 0.00 -0.64 0.48 119.26 121.18 3mks h ALA 138 Ca 0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3mks h ALA 138 Cb 0.93 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3mks h ALA 138 CO 0.08 0.55 -0.12 -0.97 0.00 0.00 0.00 179.25 178.79 3mks h ASN 139 N 0.06 -0.28 -0.90 0.00 -1.24 -0.25 0.15 115.58 113.12 3mks h ASN 139 Ca 0.00 -0.21 0.14 0.00 0.71 0.00 0.00 56.30 56.94 3mks h ASN 139 Cb 0.77 0.07 -0.09 0.00 0.73 0.00 0.00 38.32 39.80 3mks h ASN 139 CO 0.06 0.09 0.51 0.22 -1.29 0.00 0.00 177.43 177.02 3mks h TYR 140 N -0.67 0.92 -0.00 0.67 3.20 -0.05 -1.22 116.97 119.80 3mks h TYR 140 Ca -0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3mks h TYR 140 Cb 0.47 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.47 3mks h TYR 140 CO 0.03 0.28 -0.38 1.28 -1.64 0.00 0.00 178.16 177.72 3mks n LEU 141 N -4.78 0.76 -3.38 2.82 4.32 0.16 -4.86 117.00 112.04 3mks n LEU 141 Ca 0.18 -0.13 -0.17 0.00 -0.02 0.00 0.00 56.01 55.87 3mks n LEU 141 Cb 0.42 -0.19 0.08 0.00 -1.62 0.00 0.00 43.42 42.11 3mks n LEU 141 CO 0.23 0.16 0.07 -3.20 -1.22 0.00 0.00 177.39 173.43 3mks n ASN 142 N -1.08 -3.73 -4.13 -1.43 2.85 0.40 -2.65 115.26 105.50 3mks n ASN 142 Ca 0.09 -0.67 -0.38 0.00 -0.11 0.00 0.00 54.58 53.51 3mks n ASN 142 Cb 0.34 -5.09 -0.05 0.00 1.24 0.00 0.00 39.78 36.22 3mks n ASN 142 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 3mks n ILE 143 N -3.81 3.49 -0.25 -1.44 5.41 -0.51 -3.51 119.36 118.74 3mks n ILE 143 Ca -0.21 -5.23 0.04 0.00 1.00 0.00 0.00 62.75 58.35 3mks n ILE 143 Cb 0.65 -2.40 0.17 0.00 -0.71 0.00 0.00 39.64 37.35 3mks n ILE 143 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 3mks h LYS 144 N 6.03 0.50 0.00 0.38 6.56 -1.90 0.18 116.57 128.33 3mks h LYS 144 Ca 0.17 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.72 3mks h LYS 144 Cb 0.81 -0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 32.35 3mks h LYS 144 CO 0.92 0.33 -0.03 -1.35 -2.06 0.00 0.00 179.45 177.27 3mks h PRO 145 N 0.52 0.00 0.15 3.15 0.11 -1.97 0.71 132.00 134.67 3mks h PRO 145 Ca 0.39 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.24 3mks h PRO 145 Cb 0.53 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.65 3mks h PRO 145 CO -0.35 0.03 -1.27 1.25 -0.21 0.00 0.00 178.00 177.45 3mks h LEU 146 N 0.00 0.50 -0.58 2.35 5.85 -1.09 -2.03 115.31 120.32 3mks h LEU 146 Ca -0.00 -0.90 0.05 0.00 0.84 0.00 0.00 57.88 57.87 3mks h LEU 146 Cb 0.10 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 3mks h LEU 146 CO 0.00 1.58 0.30 0.25 -0.34 0.00 0.00 178.44 180.24 3mks h LEU 147 N -0.22 0.44 0.29 2.25 5.85 -1.01 0.12 115.31 123.04 3mks h LEU 147 Ca -0.25 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3mks h LEU 147 Cb 1.82 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.76 3mks h LEU 147 CO 0.13 0.30 -0.44 0.44 -0.34 0.00 0.00 178.44 178.52 3mks h ASP 148 N 0.58 -1.26 -0.63 1.25 3.32 -0.90 0.14 116.42 118.92 3mks h ASP 148 Ca 0.26 0.12 0.09 0.00 0.02 0.00 0.00 57.03 57.51 3mks h ASP 148 Cb 0.16 0.44 -0.07 0.00 0.22 0.00 0.00 39.33 40.08 3mks h ASP 148 CO -0.17 -0.56 0.27 0.00 -1.72 0.00 0.00 179.24 177.06 3mks h ALA 149 N -0.45 0.83 0.24 3.45 0.00 -0.81 -0.65 119.26 121.87 3mks h ALA 149 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3mks h ALA 149 Cb 0.75 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3mks h ALA 149 CO -0.15 -0.13 -0.27 0.78 0.00 0.00 0.00 179.25 179.48 3mks h GLY 150 N 0.48 -0.58 0.33 0.00 0.00 -0.34 -0.88 103.07 102.08 3mks h GLY 150 Ca 0.31 0.31 0.11 0.00 0.00 0.00 0.00 47.33 48.05 3mks h GLY 150 CO -0.27 -0.24 0.26 0.00 0.00 0.00 0.00 176.54 176.29 3mks h LYS 152 N 0.44 1.04 -0.10 0.00 1.57 -0.15 0.88 116.57 120.25 3mks h LYS 152 Ca 0.34 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 3mks h LYS 152 Cb 0.44 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 3mks h LYS 152 CO -0.33 0.69 -0.05 0.28 -0.57 0.00 0.00 179.45 179.47 3mks h VAL 153 N 1.07 1.32 -0.73 0.50 2.07 -0.37 0.47 116.25 120.59 3mks h VAL 153 Ca 0.38 -1.08 0.15 0.00 0.82 0.00 0.00 66.70 66.97 3mks h VAL 153 Cb 0.13 1.83 -0.10 0.00 -1.52 0.00 0.00 31.29 31.63 3mks h VAL 153 CO -0.13 0.31 0.24 0.58 0.02 0.00 0.00 177.57 178.58 3mks h VAL 154 N -0.16 0.60 -0.12 2.57 2.07 -1.15 -0.51 116.25 119.55 3mks h VAL 154 Ca 0.02 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3mks h VAL 154 Cb 0.51 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3mks h VAL 154 CO 0.02 0.06 -0.15 0.00 0.02 0.00 0.00 177.57 177.52 3mks h ALA 155 N 1.57 1.52 0.00 1.67 0.00 -0.50 0.01 119.26 123.52 3mks h ALA 155 Ca 0.41 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3mks h ALA 155 Cb 0.65 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3mks h ALA 155 CO -0.45 0.35 -0.21 1.49 0.00 0.00 0.00 179.25 180.43 3mks h GLU 156 N 0.19 0.00 -0.02 0.00 4.57 0.66 -0.76 114.58 119.21 3mks h GLU 156 Ca 0.04 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.02 3mks h GLU 156 Cb 0.39 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 3mks h GLU 156 CO 0.02 0.21 -0.85 0.52 -1.18 0.00 0.00 179.01 177.74 3mks h MET 157 N 0.00 0.29 0.01 1.92 2.86 -0.05 -3.16 114.93 116.80 3mks h MET 157 Ca -0.00 -0.29 -0.21 0.00 -2.06 0.00 0.00 59.70 57.14 3mks h MET 157 Cb 0.52 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 3mks h MET 157 CO 0.03 0.98 -1.01 0.82 1.06 0.00 0.00 176.91 178.79 3mks h ILE 158 N 0.17 1.68 -2.32 -1.22 2.04 -1.03 -3.44 117.51 113.38 3mks h ILE 158 Ca -0.05 -3.31 -0.62 0.00 1.00 0.00 0.00 64.86 61.88 3mks h ILE 158 Cb 1.46 2.82 0.09 0.00 -0.74 0.00 0.00 36.82 40.44 3mks h ILE 158 CO 0.14 0.95 0.36 -1.14 0.00 0.00 0.00 178.15 178.46 3mks n ARG 159 N -3.40 1.51 0.00 2.37 0.63 -0.34 -2.08 116.66 115.35 3mks n ARG 159 Ca -0.01 0.54 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 3mks n ARG 159 Cb 0.93 -2.06 0.00 0.00 0.45 0.00 0.00 32.46 31.78 3mks n ARG 159 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3mks n GLY 160 N 1.86 1.61 3.49 5.14 0.00 -1.26 -4.96 105.19 111.08 3mks n GLY 160 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3mks n GLY 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mks n ARG 161 N -0.46 -2.03 -3.25 1.61 5.12 -0.88 -5.06 116.66 111.70 3mks n ARG 161 Ca 0.00 -0.56 -0.19 0.00 -1.93 0.00 0.00 57.85 55.17 3mks n ARG 161 Cb 0.00 -2.16 -0.01 0.00 -1.16 0.00 0.00 32.46 29.13 3mks n ARG 161 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3mks s SER 162 N -2.39 5.37 0.14 0.55 1.04 -1.26 -4.92 113.70 112.23 3mks s SER 162 Ca 0.67 -0.59 -0.26 0.00 0.48 0.00 0.00 55.95 56.26 3mks s SER 162 Cb -0.24 -0.57 -0.02 0.00 0.10 0.00 0.00 66.02 65.30 3mks s SER 162 CO 0.64 -0.75 1.61 -0.65 0.98 0.00 0.00 173.24 175.08 3mks h PRO 163 N 0.78 -0.37 0.51 4.02 0.11 -1.98 0.66 132.00 135.73 3mks h PRO 163 Ca -0.40 0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 3mks h PRO 163 Cb 1.28 0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.47 3mks h PRO 163 CO 0.50 -0.25 -0.28 0.93 -0.21 0.00 0.00 178.00 178.69 3mks h GLU 164 N -0.38 -0.71 -0.98 1.05 4.39 -1.99 -2.04 114.58 113.91 3mks h GLU 164 Ca 0.10 0.05 0.14 0.00 0.34 0.00 0.00 59.36 59.99 3mks h GLU 164 Cb 0.54 0.16 -0.15 0.00 -0.10 0.00 0.00 28.75 29.20 3mks h GLU 164 CO -0.35 -0.48 -0.41 0.39 -1.16 0.00 0.00 179.01 177.00 3mks n GLU 165 N -5.42 -0.26 0.35 2.33 1.02 -1.09 -1.19 120.64 116.39 3mks n GLU 165 Ca -0.12 1.50 -0.19 0.00 -0.02 0.00 0.00 57.16 58.33 3mks n GLU 165 Cb 0.32 -2.23 -0.10 0.00 -0.02 0.00 0.00 31.44 29.41 3mks n GLU 165 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3mks h ILE 166 N 0.00 0.00 -0.93 -3.67 2.04 0.49 -1.38 117.51 114.06 3mks h ILE 166 Ca 0.31 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.37 3mks h ILE 166 Cb 0.56 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.46 3mks h ILE 166 CO -0.96 0.00 -0.18 -0.09 0.00 0.00 0.00 178.15 176.91 3mks h ARG 167 N -1.10 0.01 -0.70 2.37 2.43 -0.71 0.26 114.38 116.95 3mks h ARG 167 Ca -0.08 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 3mks h ARG 167 Cb 0.92 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 3mks h ARG 167 CO 0.00 0.00 0.25 0.00 -1.51 0.00 0.00 179.97 178.72 3mks h ARG 168 N 0.01 1.05 0.00 0.20 2.47 -0.91 0.91 114.38 118.11 3mks h ARG 168 Ca 0.47 -0.20 -0.01 0.00 -1.26 0.00 0.00 59.98 58.98 3mks h ARG 168 Cb 0.77 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 28.92 3mks h ARG 168 CO -0.94 0.88 -0.06 1.15 0.56 0.00 0.00 179.97 181.55 3mks h THR 169 N 1.02 0.54 0.00 2.04 2.02 0.64 -3.14 112.91 116.03 3mks h THR 169 Ca 0.23 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3mks h THR 169 Cb 0.24 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 3mks h THR 169 CO -0.01 0.06 0.00 0.49 0.37 0.00 0.00 175.52 176.43 3mks n PHE 170 N -3.72 0.00 -2.23 3.16 3.72 -0.68 -5.01 117.46 112.69 3mks n PHE 170 Ca -0.02 -0.28 -0.18 0.00 -0.05 0.00 0.00 57.45 56.91 3mks n PHE 170 Cb 0.16 -0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 38.66 3mks n PHE 170 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3mks n ASN 171 N -0.28 -5.21 -4.86 4.37 5.15 0.31 -4.98 115.26 109.76 3mks n ASN 171 Ca 0.00 0.04 -0.32 0.00 -0.60 0.00 0.00 54.58 53.71 3mks n ASN 171 Cb 0.23 -4.28 -0.05 0.00 -0.53 0.00 0.00 39.78 35.15 3mks n ASN 171 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 3mks s ILE 172 N -2.86 4.67 -0.27 -1.44 1.10 -0.94 -5.04 121.20 116.43 3mks s ILE 172 Ca 0.00 0.91 -0.14 0.00 -0.51 0.00 0.00 60.65 60.91 3mks s ILE 172 Cb 0.00 -3.67 -0.04 0.00 0.15 0.00 0.00 42.46 38.90 3mks s ILE 172 CO 0.00 -0.41 0.33 -0.69 -2.11 0.00 0.00 174.94 172.06 3mks s VAL 173 N -2.25 5.21 -0.63 4.00 1.01 -1.26 -4.81 120.40 121.67 3mks s VAL 173 Ca 0.54 0.47 -0.26 0.00 0.00 0.00 0.00 61.98 62.74 3mks s VAL 173 Cb -0.10 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 3mks s VAL 173 CO 0.25 0.18 2.17 0.21 0.00 0.00 0.00 175.10 177.91 3mks s ASN 174 N 1.64 4.71 -0.42 3.32 3.84 -1.26 -4.85 114.94 121.92 3mks s ASN 174 Ca 0.13 0.47 0.05 0.00 0.21 0.00 0.00 52.86 53.71 3mks s ASN 174 Cb -0.16 -2.52 0.52 0.00 -0.55 0.00 0.00 41.25 38.54 3mks s ASN 174 CO 0.10 -2.85 1.66 -0.90 -2.79 0.00 0.00 177.10 172.32 3mks n ASP 175 N 15.07 4.44 -4.71 -4.21 5.75 -1.26 -4.96 116.55 126.66 3mks n ASP 175 Ca 0.33 -3.75 -0.40 0.00 -0.01 0.00 0.00 54.79 50.96 3mks n ASP 175 Cb 0.51 -0.72 -0.04 0.00 -1.03 0.00 0.00 41.12 39.84 3mks n ASP 175 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3mks s PHE 176 N -3.47 3.59 0.58 2.11 0.08 -1.26 -5.05 117.98 114.56 3mks s PHE 176 Ca 0.53 1.33 -0.20 0.00 0.12 0.00 0.00 56.93 58.71 3mks s PHE 176 Cb 0.45 -2.87 -0.04 0.00 -0.57 0.00 0.00 43.02 39.99 3mks s PHE 176 CO 0.03 0.06 1.29 0.95 -0.10 0.00 0.00 175.22 177.44 3mks s THR 177 N 0.89 2.29 0.43 0.64 -4.23 -1.26 -4.66 115.64 109.73 3mks s THR 177 Ca 0.40 0.19 0.31 0.00 -1.18 0.00 0.00 61.69 61.42 3mks s THR 177 Cb -0.18 -3.09 0.48 0.00 1.34 0.00 0.00 72.50 71.05 3mks s THR 177 CO 0.20 -0.02 1.57 -2.65 -0.54 0.00 0.00 174.62 173.17 3mks n PRO 178 N -1.38 -0.04 0.08 3.99 -0.02 -1.26 -0.02 135.00 136.35 3mks n PRO 178 Ca 0.13 1.27 -0.18 0.00 -2.02 0.00 0.00 63.50 62.70 3mks n PRO 178 Cb 0.47 -2.48 -0.14 0.00 -0.02 0.00 0.00 33.50 31.33 3mks n PRO 178 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3mks h GLU 179 N 0.00 0.30 -0.08 -0.52 4.11 -1.98 -1.92 114.58 114.49 3mks h GLU 179 Ca 0.88 -0.51 -0.09 0.00 0.07 0.00 0.00 59.36 59.70 3mks h GLU 179 Cb 2.77 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 32.20 3mks h GLU 179 CO -0.51 1.19 -0.38 0.93 0.07 0.00 0.00 179.01 180.31 3mks h GLU 180 N 0.08 0.16 0.20 1.06 4.39 -1.71 -3.01 114.58 115.75 3mks h GLU 180 Ca -0.24 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.38 3mks h GLU 180 Cb 2.04 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.68 3mks h GLU 180 CO 0.18 0.52 -0.10 0.93 -1.16 0.00 0.00 179.01 179.39 3mks h GLU 181 N 0.14 -0.26 0.00 2.33 5.08 -0.39 -3.11 114.58 118.36 3mks h GLU 181 Ca 0.01 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3mks h GLU 181 Cb 0.74 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3mks h GLU 181 CO 0.06 -0.18 0.02 0.00 -1.00 0.00 0.00 179.01 177.91 3mks n ALA 182 N -2.14 1.16 0.00 3.43 0.00 -0.73 -3.65 120.51 118.57 3mks n ALA 182 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3mks n ALA 182 Cb 0.11 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3mks n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mks n ALA 183 N -1.20 1.06 -1.83 0.00 0.00 -1.14 -4.91 120.51 112.49 3mks n ALA 183 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 3mks n ALA 183 Cb 0.02 -0.79 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 3mks n ALA 183 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3mks s ILE 184 N -2.11 2.41 -2.00 0.00 1.09 -1.24 -5.13 121.20 114.22 3mks s ILE 184 Ca 0.00 0.35 0.30 0.00 -1.10 0.00 0.00 60.65 60.20 3mks s ILE 184 Cb 0.00 -3.22 0.86 0.00 -1.06 0.00 0.00 42.46 39.03 3mks s ILE 184 CO 0.00 0.06 2.13 0.54 -0.10 0.00 0.00 174.94 177.57